#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krw n GLN 2 N 0.00 -3.92 0.09 3.17 3.00 -1.26 -4.59 117.38 113.88 1krw n GLN 2 Ca 0.00 2.97 0.11 0.00 -0.01 0.00 0.00 57.00 60.06 1krw n GLN 2 Cb 0.00 -3.48 0.44 0.00 0.00 0.00 0.00 30.24 27.20 1krw n GLN 2 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1krw n ARG 3 N -1.55 0.14 -0.80 -1.09 1.85 -1.26 -4.93 116.66 109.02 1krw n ARG 3 Ca 0.00 0.35 0.00 0.00 -1.00 0.00 0.00 57.85 57.20 1krw n ARG 3 Cb 0.17 -1.76 0.00 0.00 -1.05 0.00 0.00 32.46 29.82 1krw n ARG 3 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1krw n GLY 4 N 0.13 -1.42 3.50 2.89 0.00 -1.26 -4.67 105.19 104.36 1krw n GLY 4 Ca 0.03 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 1krw n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1krw s ILE 5 N -0.07 5.24 -0.22 -0.61 1.09 -1.26 -2.45 121.20 122.92 1krw s ILE 5 Ca 0.00 -0.33 -0.07 0.00 -1.10 0.00 0.00 60.65 59.15 1krw s ILE 5 Cb 0.00 -3.83 -0.03 0.00 -1.06 0.00 0.00 42.46 37.54 1krw s ILE 5 CO 0.00 -0.16 0.06 0.54 -0.10 0.00 0.00 174.94 175.28 1krw s VAL 6 N 1.79 4.41 -0.14 2.92 0.11 0.93 0.13 120.40 130.55 1krw s VAL 6 Ca 0.07 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1krw s VAL 6 Cb -0.18 -3.03 -0.01 0.00 -1.53 0.00 0.00 36.38 31.63 1krw s VAL 6 CO 0.11 0.38 -0.14 0.26 -3.33 0.00 0.00 175.10 172.38 1krw s TRP 7 N 1.19 2.79 -0.01 1.54 0.52 -0.96 -1.77 118.94 122.25 1krw s TRP 7 Ca 0.04 -0.82 0.04 0.00 0.02 0.00 0.00 56.10 55.39 1krw s TRP 7 Cb -0.14 -1.87 -0.03 0.00 -1.15 0.00 0.00 33.47 30.28 1krw s TRP 7 CO 0.03 -0.33 -0.11 0.08 0.02 0.00 0.00 176.95 176.64 1krw s VAL 8 N 0.57 3.31 -0.24 4.03 1.01 0.29 -2.25 120.40 127.12 1krw s VAL 8 Ca -0.09 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1krw s VAL 8 Cb -0.16 -2.39 0.06 0.00 0.00 0.00 0.00 36.38 33.89 1krw s VAL 8 CO 0.03 0.45 -0.09 0.68 0.00 0.00 0.00 175.10 176.17 1krw s VAL 9 N -0.90 1.82 0.00 2.92 -7.23 0.19 -0.22 120.40 116.98 1krw s VAL 9 Ca 0.15 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 1krw s VAL 9 Cb -0.11 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 34.85 1krw s VAL 9 CO 0.05 -0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.16 1krw n ASP 10 N 4.58 0.00 0.00 4.85 -0.08 -0.81 -2.70 116.55 122.38 1krw n ASP 10 Ca -0.14 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.19 1krw n ASP 10 Cb 0.44 0.00 0.29 0.00 2.34 0.00 0.00 41.12 44.18 1krw n ASP 10 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1krw n ASP 11 N 0.00 0.00 0.00 1.67 9.92 -1.25 -2.93 116.55 123.95 1krw n ASP 11 Ca 0.00 -0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 1krw n ASP 11 Cb 0.00 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 1krw n ASP 11 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1krw n ASP 12 N -1.11 -1.24 0.00 -2.24 -0.08 -1.25 -4.71 116.55 105.92 1krw n ASP 12 Ca 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1krw n ASP 12 Cb 0.05 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.51 1krw n ASP 12 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1krw n SER 13 N -1.71 0.00 0.24 1.67 2.88 -1.26 -0.56 113.62 114.87 1krw n SER 13 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1krw n SER 13 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1krw n SER 13 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1krw h SER 14 N 0.00 -1.28 0.15 -3.46 0.87 -2.00 0.53 113.55 108.36 1krw h SER 14 Ca 0.00 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1krw h SER 14 Cb 0.00 0.43 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1krw h SER 14 CO 0.00 -0.58 -0.02 0.40 -0.53 0.00 0.00 176.83 176.09 1krw h ILE 15 N -0.87 0.30 0.11 2.23 1.08 -1.16 -2.39 117.51 116.81 1krw h ILE 15 Ca -0.05 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1krw h ILE 15 Cb 0.77 1.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.63 1krw h ILE 15 CO -0.09 0.02 -0.05 -0.09 -0.69 0.00 0.00 178.15 177.25 1krw h ARG 16 N 0.00 -0.14 -0.87 2.37 2.43 -1.08 -2.64 114.38 114.45 1krw h ARG 16 Ca -0.00 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1krw h ARG 16 Cb 0.11 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 1krw h ARG 16 CO 0.00 0.31 0.57 2.35 -1.51 0.00 0.00 179.97 181.69 1krw h TRP 17 N -0.93 1.04 -0.20 2.20 7.01 0.20 0.68 115.95 125.95 1krw h TRP 17 Ca -0.01 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 60.93 1krw h TRP 17 Cb 0.51 -0.35 -0.00 0.00 -2.10 0.00 0.00 29.16 27.22 1krw h TRP 17 CO 0.10 0.60 -0.18 0.28 -2.79 0.00 0.00 178.44 176.45 1krw h VAL 18 N 1.07 1.33 0.00 2.65 2.07 -1.54 -3.03 116.25 118.80 1krw h VAL 18 Ca 0.35 -1.32 -0.16 0.00 0.82 0.00 0.00 66.70 66.38 1krw h VAL 18 Cb 0.04 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1krw h VAL 18 CO -0.11 0.40 -0.96 0.25 0.02 0.00 0.00 177.57 177.18 1krw h LEU 19 N 0.15 0.00 0.60 2.57 7.12 -1.23 -3.22 115.31 121.30 1krw h LEU 19 Ca 0.03 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 58.02 1krw h LEU 19 Cb 0.71 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.85 1krw h LEU 19 CO 0.05 0.67 -0.29 1.05 -0.13 0.00 0.00 178.44 179.79 1krw h GLU 20 N 0.00 -0.77 0.28 1.25 4.11 0.30 -2.41 114.58 117.35 1krw h GLU 20 Ca -0.07 0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 1krw h GLU 20 Cb 1.57 0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.00 1krw h GLU 20 CO 0.07 -0.52 -0.14 0.00 0.07 0.00 0.00 179.01 178.50 1krw h ARG 21 N -1.17 -0.37 -0.30 1.06 2.47 -1.71 0.36 114.38 114.72 1krw h ARG 21 Ca -0.08 0.03 0.06 0.00 -1.26 0.00 0.00 59.98 58.73 1krw h ARG 21 Cb 0.62 0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 28.96 1krw h ARG 21 CO 0.13 -0.22 -0.10 0.00 0.56 0.00 0.00 179.97 180.35 1krw h ALA 22 N 0.29 0.16 0.00 0.04 0.00 -1.69 0.30 119.26 118.36 1krw h ALA 22 Ca -0.04 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1krw h ALA 22 Cb 0.32 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1krw h ALA 22 CO 0.06 -0.49 -0.40 1.25 0.00 0.00 0.00 179.25 179.68 1krw h LEU 23 N -0.04 0.00 -0.90 0.00 5.85 -1.37 -2.38 115.31 116.47 1krw h LEU 23 Ca 0.15 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1krw h LEU 23 Cb 0.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1krw h LEU 23 CO -0.33 0.40 -0.27 0.00 -0.34 0.00 0.00 178.44 177.90 1krw h ALA 24 N 1.60 1.07 0.00 1.25 0.00 0.14 -1.76 119.26 121.56 1krw h ALA 24 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1krw h ALA 24 Cb 0.83 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1krw h ALA 24 CO 0.05 0.57 -0.10 0.78 0.00 0.00 0.00 179.25 180.55 1krw h GLY 25 N 1.03 0.00 2.00 0.00 0.00 0.06 -0.08 103.07 106.08 1krw h GLY 25 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1krw h GLY 25 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.59 1krw h ALA 26 N 1.90 1.00 0.00 3.60 0.00 -1.25 -3.47 119.26 121.04 1krw h ALA 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1krw h ALA 26 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1krw h ALA 26 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1krw n GLY 27 N 0.93 1.46 3.53 0.00 0.00 -0.04 -5.11 105.19 105.97 1krw n GLY 27 Ca 0.04 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1krw n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1krw s LEU 28 N 0.00 2.45 -0.50 0.99 1.02 -1.17 -4.89 118.68 116.57 1krw s LEU 28 Ca 0.00 -1.40 -0.19 0.00 0.02 0.00 0.00 54.13 52.56 1krw s LEU 28 Cb 0.00 -0.59 0.06 0.00 0.02 0.00 0.00 46.19 45.68 1krw s LEU 28 CO 0.00 -0.57 0.62 -0.89 0.02 0.00 0.00 176.35 175.53 1krw s THR 29 N -3.05 4.89 -0.36 5.49 2.01 -1.02 -4.24 115.64 119.36 1krw s THR 29 Ca 0.34 -0.47 -0.09 0.00 0.31 0.00 0.00 61.69 61.77 1krw s THR 29 Cb 0.09 -4.28 0.03 0.00 0.01 0.00 0.00 72.50 68.34 1krw s THR 29 CO 0.16 -0.78 0.17 0.00 -0.69 0.00 0.00 174.62 173.48 1krw s THR 31 N 1.50 2.52 0.17 0.00 -1.32 -0.73 -4.65 115.64 113.14 1krw s THR 31 Ca 0.01 -1.87 0.08 0.00 -1.21 0.00 0.00 61.69 58.70 1krw s THR 31 Cb -0.19 -2.19 -0.04 0.00 -1.51 0.00 0.00 72.50 68.56 1krw s THR 31 CO 0.05 -0.06 -0.16 0.42 -2.21 0.00 0.00 174.62 172.67 1krw s THR 32 N -1.51 1.70 0.39 5.08 -4.23 -1.25 0.10 115.64 115.92 1krw s THR 32 Ca 0.20 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.74 1krw s THR 32 Cb -0.09 -1.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.84 1krw s THR 32 CO 0.10 -0.45 0.07 -0.36 -0.54 0.00 0.00 174.62 173.44 1krw s PHE 33 N -2.45 1.92 0.38 3.99 0.40 0.69 -4.93 117.98 117.99 1krw s PHE 33 Ca 0.17 -1.06 0.06 0.00 -0.60 0.00 0.00 56.93 55.50 1krw s PHE 33 Cb -0.03 -1.32 0.77 0.00 0.51 0.00 0.00 43.02 42.94 1krw s PHE 33 CO 0.06 -0.04 2.00 1.05 0.70 0.00 0.00 175.22 178.98 1krw h GLU 34 N 1.85 0.54 0.00 0.44 -0.00 -1.89 -2.16 114.58 113.36 1krw h GLU 34 Ca -0.39 -0.06 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 1krw h GLU 34 Cb 1.27 -0.11 0.00 0.00 -0.00 0.00 0.00 28.75 29.91 1krw h GLU 34 CO 0.66 0.43 0.00 -1.71 -0.00 0.00 0.00 179.01 178.39 1krw n ASN 35 N -4.41 0.00 0.00 3.06 2.85 -1.15 -3.89 115.26 111.72 1krw n ASN 35 Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1krw n ASN 35 Cb 0.12 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.14 1krw n ASN 35 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1krw n GLY 36 N -0.51 0.23 0.27 8.20 0.00 -1.26 -4.25 105.19 107.86 1krw n GLY 36 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1krw n GLY 36 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1krw h ASN 37 N 0.00 0.00 0.31 1.61 -0.00 -1.96 -2.79 115.58 112.75 1krw h ASN 37 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.28 1krw h ASN 37 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1krw h ASN 37 CO 0.00 0.00 -0.15 -0.08 -0.00 0.00 0.00 177.43 177.20 1krw h GLU 38 N 0.00 -0.40 -1.00 6.67 4.57 -1.97 -2.81 114.58 119.63 1krw h GLU 38 Ca 0.02 0.03 0.23 0.00 -1.18 0.00 0.00 59.36 58.46 1krw h GLU 38 Cb 0.07 0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 28.66 1krw h GLU 38 CO -0.00 -0.17 0.64 0.28 -1.18 0.00 0.00 179.01 178.57 1krw h VAL 39 N -0.57 0.60 -0.37 0.32 2.07 -1.89 0.14 116.25 116.56 1krw h VAL 39 Ca -0.04 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1krw h VAL 39 Cb 0.42 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 1krw h VAL 39 CO 0.07 0.09 0.08 -0.07 0.02 0.00 0.00 177.57 177.76 1krw h LEU 40 N 0.50 0.02 0.01 2.57 3.38 -1.50 0.92 115.31 121.22 1krw h LEU 40 Ca 0.57 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.60 1krw h LEU 40 Cb 1.28 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1krw h LEU 40 CO -0.31 0.05 -0.01 0.00 0.09 0.00 0.00 178.44 178.26 1krw h ALA 41 N 1.27 -0.02 -0.39 1.53 0.00 -0.64 -2.85 119.26 118.15 1krw h ALA 41 Ca 0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1krw h ALA 41 Cb 0.20 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1krw h ALA 41 CO -0.23 -0.41 0.12 0.00 0.00 0.00 0.00 179.25 178.74 1krw h ALA 42 N 0.76 1.48 -0.03 0.00 0.00 -0.96 -1.70 119.26 118.82 1krw h ALA 42 Ca -0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1krw h ALA 42 Cb 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1krw h ALA 42 CO 0.00 0.39 0.04 -0.07 0.00 0.00 0.00 179.25 179.62 1krw h LEU 43 N 0.56 0.00 -2.23 0.00 3.38 0.11 -1.44 115.31 115.69 1krw h LEU 43 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1krw h LEU 43 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1krw h LEU 43 CO -0.01 0.00 0.04 0.00 0.09 0.00 0.00 178.44 178.57 1krw h ALA 44 N 1.94 1.04 0.00 1.53 0.00 -1.20 -2.34 119.26 120.22 1krw h ALA 44 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1krw h ALA 44 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1krw h ALA 44 CO -0.00 -0.04 0.00 0.45 0.00 0.00 0.00 179.25 179.66 1krw n SER 45 N -2.71 0.75 -3.54 0.00 2.88 -0.57 -5.09 113.62 105.35 1krw n SER 45 Ca -0.02 -1.18 -0.08 0.00 -1.33 0.00 0.00 58.87 56.26 1krw n SER 45 Cb 0.10 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.54 1krw n SER 45 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1krw s LYS 46 N -0.18 0.84 -0.15 -1.46 2.20 -0.88 -5.15 119.74 114.96 1krw s LYS 46 Ca 0.00 -0.34 -0.04 0.00 -0.36 0.00 0.00 55.97 55.23 1krw s LYS 46 Cb 0.00 0.37 0.05 0.00 -1.51 0.00 0.00 37.83 36.75 1krw s LYS 46 CO 0.00 -0.37 0.07 0.99 -0.36 0.00 0.00 175.35 175.68 1krw s THR 47 N -3.11 0.02 0.72 3.43 2.01 -1.26 -3.93 115.64 113.52 1krw s THR 47 Ca 0.06 -0.13 -0.12 0.00 0.31 0.00 0.00 61.69 61.81 1krw s THR 47 Cb -0.01 -0.59 0.03 0.00 0.01 0.00 0.00 72.50 71.94 1krw s THR 47 CO -0.08 -0.19 1.08 -2.16 -0.69 0.00 0.00 174.62 172.59 1krw s PRO 48 N 2.09 2.60 0.39 4.92 0.04 -1.26 -4.95 135.00 138.83 1krw s PRO 48 Ca 0.02 1.16 0.21 0.00 0.04 0.00 0.00 61.00 62.43 1krw s PRO 48 Cb -0.15 -1.94 0.64 0.00 0.04 0.00 0.00 34.50 33.09 1krw s PRO 48 CO -0.08 -1.38 1.71 -0.44 0.04 0.00 0.00 177.00 176.85 1krw h ASP 49 N -0.70 0.00 -5.33 6.66 5.19 0.72 -3.45 116.42 119.52 1krw h ASP 49 Ca -0.44 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 55.84 1krw h ASP 49 Cb 1.23 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.61 1krw h ASP 49 CO 0.54 0.30 -0.38 0.54 -3.12 0.00 0.00 179.24 177.11 1krw s VAL 50 N -3.44 0.05 -0.18 -1.35 0.11 -1.14 -4.07 120.40 110.38 1krw s VAL 50 Ca 0.02 -1.55 -0.15 0.00 -2.93 0.00 0.00 61.98 57.37 1krw s VAL 50 Cb 0.09 -2.00 0.05 0.00 -1.53 0.00 0.00 36.38 32.99 1krw s VAL 50 CO 0.67 -0.25 0.46 -0.22 -3.33 0.00 0.00 175.10 172.44 1krw s LEU 51 N -3.01 0.10 -0.17 2.54 2.96 0.96 -2.26 118.68 119.79 1krw s LEU 51 Ca 0.22 0.96 0.01 0.00 -0.22 0.00 0.00 54.13 55.09 1krw s LEU 51 Cb 0.04 1.58 0.02 0.00 0.50 0.00 0.00 46.19 48.33 1krw s LEU 51 CO 0.03 -0.17 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.50 1krw s LEU 52 N 0.56 2.04 -0.06 -0.68 0.20 -0.95 0.12 118.68 119.91 1krw s LEU 52 Ca -0.03 -0.64 0.04 0.00 0.69 0.00 0.00 54.13 54.19 1krw s LEU 52 Cb -0.04 -1.36 -0.02 0.00 -0.43 0.00 0.00 46.19 44.33 1krw s LEU 52 CO -0.03 -0.04 -0.16 -0.44 -0.29 0.00 0.00 176.35 175.39 1krw s SER 53 N 1.36 3.87 0.00 3.68 0.01 0.11 0.53 113.70 123.26 1krw s SER 53 Ca 0.04 -0.26 0.30 0.00 1.31 0.00 0.00 55.95 57.34 1krw s SER 53 Cb -0.13 -0.91 1.46 0.00 0.21 0.00 0.00 66.02 66.64 1krw s SER 53 CO -0.12 0.31 2.00 -0.90 0.41 0.00 0.00 173.24 174.94 1krw n ASP 54 N 2.54 0.25 -1.01 2.44 5.68 -1.10 -2.62 116.55 122.73 1krw n ASP 54 Ca -0.17 -0.53 0.10 0.00 -0.50 0.00 0.00 54.79 53.69 1krw n ASP 54 Cb 0.52 -0.13 -0.04 0.00 -1.14 0.00 0.00 41.12 40.33 1krw n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1krw n ILE 55 N -1.04 -0.03 -2.38 2.12 3.06 -1.26 -4.60 119.36 115.23 1krw n ILE 55 Ca 0.16 0.28 -0.04 0.00 -2.50 0.00 0.00 62.75 60.65 1krw n ILE 55 Cb 0.24 -0.54 0.00 0.00 0.54 0.00 0.00 39.64 39.88 1krw n ILE 55 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1krw n ARG 56 N -3.27 -1.36 0.18 9.51 0.63 -1.19 -4.89 116.66 116.28 1krw n ARG 56 Ca -0.02 1.44 0.00 0.00 -0.92 0.00 0.00 57.85 58.35 1krw n ARG 56 Cb 0.59 -4.14 0.00 0.00 0.45 0.00 0.00 32.46 29.35 1krw n ARG 56 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1krw n MET 57 N -0.60 0.00 0.00 -0.14 1.56 0.42 -4.91 117.12 113.44 1krw n MET 57 Ca 0.06 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.49 1krw n MET 57 Cb 0.33 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.70 1krw n MET 57 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1krw n PRO 58 N -3.29 0.17 0.21 2.12 -0.04 -0.91 -4.94 135.00 128.33 1krw n PRO 58 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 1krw n PRO 58 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 1krw n PRO 58 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1krw h GLY 59 N -0.18 -0.56 -5.53 0.55 0.00 -1.96 -3.24 103.07 92.15 1krw h GLY 59 Ca 0.00 0.21 -0.35 0.00 0.00 0.00 0.00 47.33 47.18 1krw h GLY 59 CO 0.00 -0.20 2.45 -0.13 0.00 0.00 0.00 176.54 178.66 1krw n MET 60 N -3.61 1.87 0.00 4.80 0.00 -1.26 -4.75 117.12 114.17 1krw n MET 60 Ca -0.07 -1.38 0.00 0.00 -0.00 0.00 0.00 57.70 56.25 1krw n MET 60 Cb 0.21 -2.43 0.00 0.00 0.00 0.00 0.00 33.22 31.00 1krw n MET 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1krw n ASP 61 N 4.41 0.00 0.00 6.12 8.00 -1.22 -1.82 116.55 132.04 1krw n ASP 61 Ca 0.41 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.91 1krw n ASP 61 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1krw n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1krw n GLY 62 N 0.00 0.00 0.30 0.44 0.00 -1.26 0.16 105.19 104.83 1krw n GLY 62 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 1krw n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1krw h LEU 63 N 0.00 0.00 -1.30 0.99 4.07 -1.73 -0.45 115.31 116.89 1krw h LEU 63 Ca 0.00 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.07 1krw h LEU 63 Cb 0.00 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.68 1krw h LEU 63 CO 0.00 0.00 0.55 0.00 -1.08 0.00 0.00 178.44 177.91 1krw h ALA 64 N 1.97 1.75 -0.08 1.53 0.00 -1.84 0.15 119.26 122.74 1krw h ALA 64 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1krw h ALA 64 Cb 0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1krw h ALA 64 CO 0.00 0.07 0.05 -0.07 0.00 0.00 0.00 179.25 179.30 1krw h LEU 65 N 0.76 0.10 -0.36 0.00 3.38 -1.40 -2.66 115.31 115.13 1krw h LEU 65 Ca 0.40 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.40 1krw h LEU 65 Cb 0.50 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 1krw h LEU 65 CO -0.16 0.11 -0.17 -0.07 0.09 0.00 0.00 178.44 178.23 1krw h LEU 66 N 0.08 -0.59 -0.78 1.67 4.07 -1.13 -0.73 115.31 117.89 1krw h LEU 66 Ca 0.03 0.14 0.16 0.00 0.08 0.00 0.00 57.88 58.29 1krw h LEU 66 Cb 0.03 0.32 -0.15 0.00 1.08 0.00 0.00 40.66 41.95 1krw h LEU 66 CO -0.01 -0.21 -0.15 0.11 -1.08 0.00 0.00 178.44 177.11 1krw h LYS 67 N -0.11 0.02 0.00 1.13 1.57 -0.88 0.83 116.57 119.13 1krw h LYS 67 Ca 0.18 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1krw h LYS 67 Cb 0.39 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1krw h LYS 67 CO -0.43 0.01 -0.27 1.96 -0.57 0.00 0.00 179.45 180.15 1krw h GLN 68 N 0.02 0.00 0.34 3.15 1.08 -0.91 -3.02 115.11 115.77 1krw h GLN 68 Ca 0.39 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.57 1krw h GLN 68 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1krw h GLN 68 CO -0.78 0.27 -0.17 0.82 -0.95 0.00 0.00 178.83 178.02 1krw h ILE 69 N 0.00 0.67 0.00 2.54 2.04 0.20 -3.03 117.51 119.93 1krw h ILE 69 Ca -0.00 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1krw h ILE 69 Cb 0.62 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1krw h ILE 69 CO 0.03 0.07 -0.10 0.07 0.00 0.00 0.00 178.15 178.22 1krw h LYS 70 N -0.66 0.00 0.00 2.37 -0.00 -1.34 0.29 116.57 117.23 1krw h LYS 70 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.59 1krw h LYS 70 Cb 0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.70 1krw h LYS 70 CO 0.08 0.10 -0.06 1.96 -0.00 0.00 0.00 179.45 181.53 1krw h GLN 71 N 0.00 0.00 0.00 0.07 4.20 -1.41 -3.12 115.11 114.85 1krw h GLN 71 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1krw h GLN 71 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1krw h GLN 71 CO 0.01 0.06 -0.18 0.54 -0.67 0.00 0.00 178.83 178.59 1krw n ARG 72 N -3.37 5.74 -4.18 1.46 1.74 -0.57 -5.06 116.66 112.41 1krw n ARG 72 Ca -0.02 -0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.84 1krw n ARG 72 Cb 0.21 -0.60 -0.06 0.00 -1.02 0.00 0.00 32.46 30.99 1krw n ARG 72 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1krw s HIS 73 N -1.20 2.88 -0.13 -1.55 -3.43 0.93 -4.92 115.29 107.88 1krw s HIS 73 Ca 0.00 -0.19 -0.08 0.00 -0.80 0.00 0.00 55.06 53.99 1krw s HIS 73 Cb 0.00 -1.34 -0.03 0.00 -1.43 0.00 0.00 32.58 29.78 1krw s HIS 73 CO 0.01 0.54 -0.11 -1.00 -2.00 0.00 0.00 174.74 172.18 1krw h PRO 74 N 1.66 0.00 -0.50 -0.38 0.13 -1.88 -3.43 132.00 127.60 1krw h PRO 74 Ca -0.46 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.38 1krw h PRO 74 Cb 1.25 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.12 1krw h PRO 74 CO 0.61 0.05 -0.73 -1.33 -0.23 0.00 0.00 178.00 176.37 1krw n MET 75 N -4.65 1.15 -2.51 0.86 2.81 -1.25 -4.80 117.12 108.74 1krw n MET 75 Ca -0.07 -2.46 -0.43 0.00 -1.81 0.00 0.00 57.70 52.94 1krw n MET 75 Cb 0.22 -0.67 -0.02 0.00 -0.71 0.00 0.00 33.22 32.04 1krw n MET 75 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1krw s LEU 76 N -3.06 4.23 0.31 4.03 0.20 -1.26 -4.75 118.68 118.38 1krw s LEU 76 Ca 0.25 1.68 -0.29 0.00 0.69 0.00 0.00 54.13 56.46 1krw s LEU 76 Cb 0.41 -3.55 -0.10 0.00 -0.43 0.00 0.00 46.19 42.52 1krw s LEU 76 CO -0.04 -0.62 1.40 -2.84 -0.29 0.00 0.00 176.35 173.97 1krw s PRO 77 N 2.64 4.26 -0.14 0.98 0.02 -1.25 -3.19 135.00 138.33 1krw s PRO 77 Ca 0.53 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.89 1krw s PRO 77 Cb -0.22 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.27 1krw s PRO 77 CO 0.17 -0.36 -0.12 0.08 -0.33 0.00 0.00 177.00 176.45 1krw s VAL 78 N -0.69 1.40 -0.33 3.83 1.01 -1.24 -0.03 120.40 124.34 1krw s VAL 78 Ca 0.54 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 1krw s VAL 78 Cb -0.42 -1.35 0.04 0.00 0.00 0.00 0.00 36.38 34.65 1krw s VAL 78 CO 0.52 0.41 0.10 -0.63 0.00 0.00 0.00 175.10 175.49 1krw s ILE 79 N 1.56 3.74 0.03 2.22 1.09 0.33 0.63 121.20 130.81 1krw s ILE 79 Ca 0.05 -1.12 -0.01 0.00 -1.10 0.00 0.00 60.65 58.46 1krw s ILE 79 Cb -0.13 -3.11 -0.04 0.00 -1.06 0.00 0.00 42.46 38.12 1krw s ILE 79 CO -0.10 -0.16 0.19 -0.63 -0.10 0.00 0.00 174.94 174.14 1krw s ILE 80 N 1.40 5.32 0.04 2.92 -1.09 -1.16 0.04 121.20 128.68 1krw s ILE 80 Ca -0.02 -0.34 -0.04 0.00 -2.23 0.00 0.00 60.65 58.03 1krw s ILE 80 Cb -0.19 -3.55 -0.28 0.00 -1.58 0.00 0.00 42.46 36.85 1krw s ILE 80 CO 0.03 0.21 1.01 0.00 -1.23 0.00 0.00 174.94 174.96 1krw h MET 81 N 3.39 0.26 -3.42 2.79 -0.00 -1.75 -2.12 114.93 114.07 1krw h MET 81 Ca -0.47 -0.45 -0.13 0.00 -0.00 0.00 0.00 59.70 58.66 1krw h MET 81 Cb 1.17 0.17 -0.19 0.00 -0.00 0.00 0.00 31.60 32.75 1krw h MET 81 CO 0.72 1.17 -0.40 0.99 -0.00 0.00 0.00 176.91 179.39 1krw s THR 82 N -2.64 0.09 -0.29 -0.10 2.01 -1.24 -3.67 115.64 109.79 1krw s THR 82 Ca -0.06 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.25 1krw s THR 82 Cb 0.07 -0.66 0.10 0.00 0.01 0.00 0.00 72.50 72.02 1krw s THR 82 CO 0.87 -0.40 1.09 0.00 -0.69 0.00 0.00 174.62 175.49 1krw n ALA 83 N 1.11 2.07 0.00 7.40 0.00 -1.26 -4.86 120.51 124.97 1krw n ALA 83 Ca -0.21 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.15 1krw n ALA 83 Cb 0.57 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1krw n ALA 83 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1krw n HIS 84 N -0.20 0.00 -2.74 0.00 1.44 -1.26 -1.91 115.22 110.55 1krw n HIS 84 Ca 0.04 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.74 1krw n HIS 84 Cb 0.32 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.51 1krw n HIS 84 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1krw n SER 85 N 0.43 0.10 -2.30 4.39 7.64 -1.26 -4.90 113.62 117.72 1krw n SER 85 Ca 0.00 -2.11 -0.00 0.00 1.01 0.00 0.00 58.87 57.76 1krw n SER 85 Cb 0.00 0.08 0.04 0.00 -1.01 0.00 0.00 64.21 63.32 1krw n SER 85 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1krw n ASP 86 N -1.01 1.66 0.29 6.43 -0.08 -0.80 -4.88 116.55 118.15 1krw n ASP 86 Ca -0.05 -2.22 0.13 0.00 -1.51 0.00 0.00 54.79 51.14 1krw n ASP 86 Cb 0.84 -0.42 0.64 0.00 2.34 0.00 0.00 41.12 44.53 1krw n ASP 86 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1krw h LEU 87 N 2.04 0.00 -0.27 -2.67 3.38 -1.91 -2.70 115.31 113.18 1krw h LEU 87 Ca -0.12 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.89 1krw h LEU 87 Cb 1.47 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.14 1krw h LEU 87 CO 0.19 0.00 -0.50 0.44 0.09 0.00 0.00 178.44 178.66 1krw h ASP 88 N 0.00 -1.63 0.96 -0.43 5.19 -1.94 0.32 116.42 118.88 1krw h ASP 88 Ca 0.04 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 1krw h ASP 88 Cb 1.04 0.67 0.00 0.00 0.18 0.00 0.00 39.33 41.22 1krw h ASP 88 CO -0.00 -0.43 0.00 0.00 -3.12 0.00 0.00 179.24 175.69 1krw h ALA 89 N 0.01 1.00 -0.15 3.45 0.00 -1.88 -3.06 119.26 118.62 1krw h ALA 89 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1krw h ALA 89 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1krw h ALA 89 CO -0.51 0.00 -0.12 0.00 0.00 0.00 0.00 179.25 178.62 1krw h ALA 90 N 2.02 0.22 0.19 0.00 0.00 -0.58 -0.99 119.26 120.12 1krw h ALA 90 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1krw h ALA 90 Cb 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1krw h ALA 90 CO 0.00 0.07 -0.09 0.28 0.00 0.00 0.00 179.25 179.51 1krw h VAL 91 N -0.01 0.91 0.00 0.00 2.07 -0.69 -2.74 116.25 115.79 1krw h VAL 91 Ca 0.03 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1krw h VAL 91 Cb 0.63 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1krw h VAL 91 CO 0.03 0.15 -0.01 0.28 0.02 0.00 0.00 177.57 178.04 1krw h SER 92 N -0.61 0.00 -0.79 0.57 0.02 -1.64 -0.70 113.55 110.39 1krw h SER 92 Ca -0.03 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1krw h SER 92 Cb 0.45 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 1krw h SER 92 CO 0.04 0.01 0.49 0.00 -1.14 0.00 0.00 176.83 176.23 1krw h ALA 93 N 1.99 1.01 0.00 3.77 0.00 -0.89 -0.73 119.26 124.41 1krw h ALA 93 Ca -0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1krw h ALA 93 Cb 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1krw h ALA 93 CO 0.00 0.46 -0.28 1.88 0.00 0.00 0.00 179.25 181.31 1krw h TYR 94 N 1.08 0.00 -0.87 0.00 0.05 -0.86 0.49 116.97 116.87 1krw h TYR 94 Ca 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.06 1krw h TYR 94 Cb -0.06 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.64 1krw h TYR 94 CO -0.01 0.28 0.52 0.37 -1.05 0.00 0.00 178.16 178.28 1krw h GLN 95 N 0.00 1.18 0.00 4.88 -0.00 -0.83 -3.14 115.11 117.20 1krw h GLN 95 Ca -0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 58.65 58.54 1krw h GLN 95 Cb 0.61 -0.25 0.00 0.00 0.00 0.00 0.00 27.48 27.84 1krw h GLN 95 CO 0.04 0.83 -1.91 0.00 0.00 0.00 0.00 178.83 177.79 1krw n GLN 96 N -4.41 0.61 0.04 1.69 0.00 -1.07 -4.99 117.38 109.24 1krw n GLN 96 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 57.00 56.91 1krw n GLN 96 Cb 0.06 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 28.79 1krw n GLN 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1krw n GLY 97 N 1.30 -1.20 1.55 2.61 0.00 0.38 -3.87 105.19 105.96 1krw n GLY 97 Ca -0.03 0.44 -0.22 0.00 0.00 0.00 0.00 46.02 46.20 1krw n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krw n ALA 98 N -2.87 -1.86 -0.08 4.61 0.00 0.15 -3.71 120.51 116.75 1krw n ALA 98 Ca 0.00 0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.52 1krw n ALA 98 Cb 0.00 -0.74 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 1krw n ALA 98 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1krw h PHE 99 N 0.51 0.00 -0.57 0.00 3.57 -0.10 -3.33 116.94 117.02 1krw h PHE 99 Ca -0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1krw h PHE 99 Cb 0.66 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.40 1krw h PHE 99 CO 0.20 0.82 0.00 -0.40 -2.23 0.00 0.00 178.31 176.70 1krw n ASP 100 N -4.58 0.00 -4.05 0.41 5.75 -1.16 -4.96 116.55 107.96 1krw n ASP 100 Ca -0.15 -0.46 -0.10 0.00 -0.01 0.00 0.00 54.79 54.07 1krw n ASP 100 Cb 0.42 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.41 1krw n ASP 100 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1krw s TYR 101 N -2.42 0.51 -0.28 2.11 1.51 -1.26 -2.96 117.35 114.56 1krw s TYR 101 Ca 0.00 -0.66 -0.09 0.00 -1.01 0.00 0.00 57.07 55.30 1krw s TYR 101 Cb 0.00 -0.33 -0.03 0.00 -0.11 0.00 0.00 41.96 41.49 1krw s TYR 101 CO 0.00 -0.19 0.14 -0.51 -1.11 0.00 0.00 175.55 173.88 1krw s LEU 102 N -1.95 3.84 0.01 -1.29 1.02 -0.80 -4.99 118.68 114.52 1krw s LEU 102 Ca -0.07 -0.18 -0.09 0.00 0.02 0.00 0.00 54.13 53.81 1krw s LEU 102 Cb -0.05 -2.03 -0.05 0.00 0.02 0.00 0.00 46.19 44.08 1krw s LEU 102 CO -0.03 -0.08 0.90 -0.65 0.02 0.00 0.00 176.35 176.52 1krw h PRO 103 N 8.32 -0.32 0.00 1.29 0.11 -1.92 -3.29 132.00 136.19 1krw h PRO 103 Ca -0.36 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 1krw h PRO 103 Cb 1.18 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1krw h PRO 103 CO 0.57 -0.21 -0.12 1.63 -0.21 0.00 0.00 178.00 179.66 1krw n LYS 104 N -3.09 0.01 -0.69 1.05 5.02 -1.26 -4.83 118.16 114.36 1krw n LYS 104 Ca -0.04 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.93 1krw n LYS 104 Cb 0.13 -0.51 0.16 0.00 -0.02 0.00 0.00 35.03 34.79 1krw n LYS 104 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1krw n PRO 105 N -3.45 -0.95 0.00 1.97 -0.04 -1.26 -4.96 135.00 126.31 1krw n PRO 105 Ca -0.00 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1krw n PRO 105 Cb 0.06 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1krw n PRO 105 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1krw n PHE 106 N -4.13 0.00 -0.23 0.54 7.35 -1.26 -4.85 117.46 114.88 1krw n PHE 106 Ca 0.06 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.78 1krw n PHE 106 Cb 0.55 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.37 1krw n PHE 106 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1krw n ASP 107 N 0.00 -1.35 -0.11 -2.13 5.75 -1.26 -2.22 116.55 115.23 1krw n ASP 107 Ca 0.00 0.24 -0.12 0.00 -0.01 0.00 0.00 54.79 54.91 1krw n ASP 107 Cb 0.00 -1.10 -0.03 0.00 -1.03 0.00 0.00 41.12 38.96 1krw n ASP 107 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1krw h ILE 108 N -0.21 1.28 -0.07 2.12 5.03 -2.01 0.06 117.51 123.71 1krw h ILE 108 Ca 0.00 -1.20 0.03 0.00 -0.12 0.00 0.00 64.86 63.57 1krw h ILE 108 Cb 0.21 1.36 -0.06 0.00 -3.03 0.00 0.00 36.82 35.30 1krw h ILE 108 CO 0.00 0.39 -0.49 0.44 -0.68 0.00 0.00 178.15 177.82 1krw h ASP 109 N 0.45 -1.52 0.58 1.72 5.19 -1.99 1.19 116.42 122.04 1krw h ASP 109 Ca 0.08 0.18 -0.17 0.00 -0.62 0.00 0.00 57.03 56.50 1krw h ASP 109 Cb 0.63 0.59 -0.02 0.00 0.18 0.00 0.00 39.33 40.72 1krw h ASP 109 CO 0.04 -0.48 -0.75 -0.33 -3.12 0.00 0.00 179.24 174.60 1krw h GLU 110 N -0.58 0.14 0.61 3.56 4.39 -1.52 -1.52 114.58 119.65 1krw h GLU 110 Ca 0.04 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1krw h GLU 110 Cb 0.68 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1krw h GLU 110 CO -0.39 0.82 -0.29 0.00 -1.16 0.00 0.00 179.01 178.00 1krw h ALA 111 N 1.14 -0.90 -0.23 3.43 0.00 -0.41 0.20 119.26 122.49 1krw h ALA 111 Ca -0.02 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1krw h ALA 111 Cb 1.32 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1krw h ALA 111 CO 0.11 -0.84 0.16 0.28 0.00 0.00 0.00 179.25 178.96 1krw h VAL 112 N -1.10 0.99 -0.35 0.00 2.07 0.13 0.20 116.25 118.19 1krw h VAL 112 Ca -0.08 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1krw h VAL 112 Cb 0.63 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1krw h VAL 112 CO 0.14 0.04 0.10 0.00 0.02 0.00 0.00 177.57 177.86 1krw h ALA 113 N 1.87 0.46 0.00 1.67 0.00 -1.19 -0.88 119.26 121.19 1krw h ALA 113 Ca 0.10 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1krw h ALA 113 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1krw h ALA 113 CO -0.02 0.11 -0.31 1.25 0.00 0.00 0.00 179.25 180.29 1krw h LEU 114 N 0.41 0.00 0.13 0.00 5.85 0.47 -2.91 115.31 119.27 1krw h LEU 114 Ca 0.11 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.63 1krw h LEU 114 Cb 0.27 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.32 1krw h LEU 114 CO -0.00 0.31 -0.87 1.62 -0.34 0.00 0.00 178.44 179.15 1krw h VAL 115 N 0.00 1.47 -0.41 1.05 3.04 -0.38 -3.12 116.25 117.90 1krw h VAL 115 Ca -0.00 -2.49 -0.06 0.00 -1.01 0.00 0.00 66.70 63.15 1krw h VAL 115 Cb 0.98 3.08 -0.02 0.00 -2.01 0.00 0.00 31.29 33.33 1krw h VAL 115 CO 0.04 0.71 0.04 -0.33 -1.01 0.00 0.00 177.57 177.02 1krw h GLU 116 N -0.25 0.69 0.00 4.17 5.08 -1.23 -2.45 114.58 120.59 1krw h GLU 116 Ca -0.15 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1krw h GLU 116 Cb 1.66 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.84 1krw h GLU 116 CO 0.16 0.76 -0.06 0.07 -1.00 0.00 0.00 179.01 178.94 1krw h ARG 117 N 0.53 0.00 -0.10 2.33 0.11 -1.64 -1.37 114.38 114.24 1krw h ARG 117 Ca 0.12 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.14 1krw h ARG 117 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 1krw h ARG 117 CO 0.01 0.06 -0.19 0.00 0.10 0.00 0.00 179.97 179.96 1krw h ALA 118 N 1.94 0.15 -0.10 0.08 0.00 -1.38 -2.47 119.26 117.49 1krw h ALA 118 Ca -0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1krw h ALA 118 Cb 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1krw h ALA 118 CO 0.01 0.09 -0.40 0.82 0.00 0.00 0.00 179.25 179.77 1krw h ILE 119 N -0.15 1.30 -0.54 0.00 2.04 -1.21 -2.98 117.51 115.98 1krw h ILE 119 Ca 0.00 -1.47 -0.07 0.00 1.00 0.00 0.00 64.86 64.33 1krw h ILE 119 Cb 0.77 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 1krw h ILE 119 CO 0.04 0.44 0.07 -1.28 0.00 0.00 0.00 178.15 177.42 1krw h SER 120 N 0.18 0.87 0.12 1.72 0.87 -1.25 0.91 113.55 116.97 1krw h SER 120 Ca 0.02 -0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 1krw h SER 120 Cb 0.78 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1krw h SER 120 CO 0.06 0.93 -0.11 0.45 -0.53 0.00 0.00 176.83 177.62 1krw h HIS 121 N 0.79 0.00 0.00 2.24 3.86 -1.29 -2.97 115.15 117.78 1krw h HIS 121 Ca 0.16 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.34 1krw h HIS 121 Cb 0.44 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 1krw h HIS 121 CO 0.03 0.11 -0.19 1.88 0.86 0.00 0.00 177.93 180.63 1krw h TYR 122 N 0.00 0.00 -4.31 2.45 0.05 -1.38 -3.47 116.97 110.32 1krw h TYR 122 Ca -0.00 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.32 1krw h TYR 122 Cb 0.21 0.00 0.13 0.00 1.01 0.00 0.00 36.73 38.07 1krw h TYR 122 CO 0.00 0.98 0.33 -0.65 -1.05 0.00 0.00 178.16 177.78 1krw s GLN 123 N -2.19 1.25 0.00 4.88 1.11 0.28 -5.11 119.66 119.88 1krw s GLN 123 Ca -0.19 0.18 0.00 0.00 0.01 0.00 0.00 55.36 55.36 1krw s GLN 123 Cb -0.01 -1.86 0.00 0.00 -1.01 0.00 0.00 33.01 30.12 1krw s GLN 123 CO 0.62 -2.10 0.00 0.39 0.01 0.00 0.00 175.29 174.21